SCHEMBL2479647

SCHEMBL2479647

CC(C)(C)OC(=O)ON1CCC(n2cc(-c3cnc(-c4cccc(CO)c4)nc3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.45
TAB1 Q15750 2/20 0.45
MET P08581 2/20 0.41
PAK1 Q13153 5/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
AXL P30530 3/20 0.39
MERTK Q12866 3/20 0.39
MAP4K3 Q8IVH8 2/20 0.38
PKN1 Q16512 1/20 0.38
IRAK1 P51617 2/20 0.37
ALK Q9UM73 1/20 0.37
RET P07949 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1321592 0.88 MET (0.52) MAP3K7TAB1METPAK1FGFR1
SCHEMBL1581181 0.84 MET (0.47) METFGFR1FGFR2FGFR3
SCHEMBL2474231 0.82 MET (0.44) METPAK1AXLMERTKRET
SCHEMBL2481596 0.82 MET (0.49) MET
SCHEMBL27859570 0.81 MAP3K7 (0.52) MAP3K7TAB1METPAK1AXL
SCHEMBL12547684 0.80 MET (0.52) MAP3K7TAB1METFGFR1FGFR2
SCHEMBL3631784 0.79 GPR119 (0.38) ALK
SCHEMBL20280701 0.76 MET (0.52) METFGFR1FGFR2FGFR4FGFR3
SCHEMBL15416081 0.76 MET (0.54) METFGFR1FGFR2FGFR4FGFR3
SCHEMBL15431560 0.76 GPR119 (0.55) METFGFR1FGFR2FGFR4FGFR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181111-B1 THIADIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
EP-2373644-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP disclosed
EP-2373644-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2011-10-12 EP disclosed
WO-2010078910-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-15 WO disclosed
EP-2181111-A1 THIADIAZINONE DERIVATIVES Merck Patent GmbH (DE) 2010-05-05 EP disclosed
WO-2009030333-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed